N-(1-chloro-4-methylpentan-2-yl)-3-fluoro-4-methoxybenzamide

C14H19ClFNO2 — CID 114300958

IUPACN-(1-chloro-4-methylpentan-2-yl)-3-fluoro-4-methoxybenzamide
SMILESCOc1ccc(C(=O)NC(CCl)CC(C)C)cc1F
InChIInChI=1S/C14H19ClFNO2/c1-9(2)6-11(8-15)17-14(18)10-4-5-13(19-3)12(16)7-10/h4-5,7,9,11H,6,8H2,1-3H3,(H,17,18)
InChIKeyICQWPIWWUMUYMP-UHFFFAOYSA-N
MW287.76 g/mol
LogP3.22
Rot. Bonds6

About N-(1-chloro-4-methylpentan-2-yl)-3-fluoro-4-methoxybenzamide

N-(1-chloro-4-methylpentan-2-yl)-3-fluoro-4-methoxybenzamide (PubChem CID 114300958) has the molecular formula C14H19ClFNO2 and a molecular weight of 287.76 g/mol. Its IUPAC name is N-(1-chloro-4-methylpentan-2-yl)-3-fluoro-4-methoxybenzamide.

Molecular Properties

Compound NameN-(1-chloro-4-methylpentan-2-yl)-3-fluoro-4-methoxybenzamide
PubChem CID114300958
Molecular FormulaC14H19ClFNO2
Molecular Weight287.76 g/mol
Exact Mass287.11
IUPAC NameN-(1-chloro-4-methylpentan-2-yl)-3-fluoro-4-methoxybenzamide
SMILESCOc1ccc(C(=O)NC(CCl)CC(C)C)cc1F
InChIInChI=1S/C14H19ClFNO2/c1-9(2)6-11(8-15)17-14(18)10-4-5-13(19-3)12(16)7-10/h4-5,7,9,11H,6,8H2,1-3H3,(H,17,18)
InChIKeyICQWPIWWUMUYMP-UHFFFAOYSA-N
XLogP3.22
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.76
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

3-fluoro-4-methoxy-N-(3-methyl-1-phenylbutyl)benzamide
CID 133225144
3-fluoro-4-methoxy-N-[(1R)-1-(4-methoxyphenyl)-3-methylbutyl]benzamide
CID 100613058
N-(3-chloro-2-methylpropyl)-3-fluoro-4-methoxybenzamide
CID 114302762
N-(1-bromo-4-methylpentan-2-yl)-3,4-dimethoxybenzamide
CID 114311669
N-(1-chloro-4-methylpentan-2-yl)-3,4-dihydroxybenzamide
CID 107729002
3-fluoro-N-(1-hydroxypentan-3-yl)-4-methoxybenzamide
CID 109478916
4-methoxy-N-(1-methoxy-4-methylpentan-2-yl)-3-methylbenzamide
CID 66772927
N-(1-chloro-4-methylpentan-2-yl)-2,5-dimethoxybenzamide
CID 114300830
N-(4-bromobutan-2-yl)-3-fluoro-4-methoxybenzamide
CID 83179034
N-(1-bromopentan-3-yl)-3-fluoro-4-methoxybenzamide
CID 113496391
N-(2-chloropropyl)-3-fluoro-4-methoxybenzamide
CID 114296589
N-[(3S,4R)-1,4-dihydroxy-2-oxopentan-3-yl]-3-fluoro-4-methoxybenzamide
CID 58343292

Frequently Asked Questions

What is the IUPAC name of N-(1-chloro-4-methylpentan-2-yl)-3-fluoro-4-methoxybenzamide?
The IUPAC name of N-(1-chloro-4-methylpentan-2-yl)-3-fluoro-4-methoxybenzamide (CID 114300958) is N-(1-chloro-4-methylpentan-2-yl)-3-fluoro-4-methoxybenzamide.
What is the SMILES notation for N-(1-chloro-4-methylpentan-2-yl)-3-fluoro-4-methoxybenzamide?
The canonical SMILES for N-(1-chloro-4-methylpentan-2-yl)-3-fluoro-4-methoxybenzamide is COc1ccc(C(=O)NC(CCl)CC(C)C)cc1F.
What is the InChIKey of N-(1-chloro-4-methylpentan-2-yl)-3-fluoro-4-methoxybenzamide?
The InChIKey is ICQWPIWWUMUYMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClFNO2/c1-9(2)6-11(8-15)17-14(18)10-4-5-13(19-3)12(16)7-10/h4-5,7,9,11H,6,8H2,1-3H3,(H,17,18).
What are the key properties of N-(1-chloro-4-methylpentan-2-yl)-3-fluoro-4-methoxybenzamide?
N-(1-chloro-4-methylpentan-2-yl)-3-fluoro-4-methoxybenzamide has a molecular weight of 287.76 g/mol, XLogP of 3.22, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-chloro-4-methylpentan-2-yl)-3-fluoro-4-methoxybenzamide is sourced from PubChem (CID 114300958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).